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Publications eTOX
2011
November
POSTER and ORAL COMMUNICATION: Networking drug toxicity events to proteins and drugs. Cases M, Bravo A, Sanz F, Furlong LI. ICREA Conference on Network Medicine Approaches to Human Disease: from Computer to the Clinics. Partner: FIMIM
ARTICLE: The IMI eTOX Project. Steger-Hartmann T. AXLR8-2 Workshop Report on a ‘Roadmap to Innovative Toxicity Testing’. Partner: BHC
October
ARTICLE: A review of the use of in silico methods to predict the chemistry of molecular initiating events related to drug toxicity. Ellison CM, Enoch SJ, Cronin MT. Expert Opin Drug Metab Toxicol. 2011 Oct 28. [Epub ahead of print] Partner: LJMU
ARTICLE: Overview of the BioCreative III Workshop. Arighi CN, Lu Z, Krallinger M, Cohen KB, Wilbur WJ, Valencia A, Hirschman L and Wu CH. BMC Bioinformatics 2011, 12(Suppl 8):S1 Partner: CNIO
September
ARTICLE: Shaping the future of safer innovative drugs in Europe. Mestres J, Bryant SD, Zamora I & Gasteiger J. Nature Biotechnology. 2011 Sep 8;29:789–790.doi:10.1038/nbt.1973. Partners: CT, IL, LMD, MN
August
ARTICLE: Application of computational systems biology to explore environmental toxicity hazards. Audouze K, Grandjean P. Environ Health Perspect. 2011 Aug. Partner: DTU
ARTICLE: A review of the electrophilic reaction chemistry involved in covalent protein binding relevant to toxicity. Enoch SJ, Ellison CM, Schultz TW and Cronin MTD. Critical Reviews in Toxicology. 2011 Aug; 0 0:0, 1-20. Partner: LJMU
July
ARTICLE: Text Mining for Drugs and Chemical Compounds: Methods, Tools and Applications. Krallinger M, Vazquez M Leitner F, Salgado D, Chatr-aryamontri A, Winter A, Perfetto L, Briganti L, Licata L, Iannuccelli M, et al. Mol. Inf. 2011.30:506 – 19. Partner: CNIO
June
ARTICLE: Gene-Disease Network Analysis Reveals Functional Modules in Mendelian, Complex and Environmental Diseases. Bauer-Mehren A, Bundschus M, Rautschka M, Mayer MA, Sanz F, et al. PLoS ONE. 2011 Jun 14;6(6): e20284. Partner: FIMIM
April
ARTICLE: In silico predictions of hERG channel blockers in drug discovery: From ligand-based and target-based approaches to systems chemical biology. Taboureau O and Jørgensen FS. Comb Chem High Throughput Screen. 2011 Apr 2. [Epub ahead of print] Partner: DTU
February
DELIVERABLE: Review of available approaches to predict pure-chemistry drug toxicities. Ellison C; Cronin M.Partner: LJMU
January
ARTICLE: A Multiscale Simulation System for the Prediction of Drug-Induced Cardiotoxicity. Obiol-Pardo C, Gomis-Tena J, Sanz F, Saiz J, Pastor MJ. Chem. Inf. Model Partner: FIMIM
2010
December
ORAL COMUNICATION: The REACH Initiative: Modeling Toxicity and Metabolism in Risk Assessment. Gasteiger, J. 14th December 2010, Korea. Partner: MN
ORAL COMUNICATION: Machine Learning in Drug Design: Lessons Learned. Wichard JD. Charting Chemical Space: Challenges and Opportunities for AI and Machine Learning, 11th December, Vancouver, Canada. Partner: BHC
November
POSTER: In Silico Prediction of in vivo Toxicity - the First Steps of the eTOX Consortium. Steger-Hartmann T, Pognan F, Sanz F, Diaz C, Sutter A, Pastor M. 2010 Nov 1; The Chemistry Centre, Burlington House, London, United Kingdom. Partners:LL,BHC, Novartis, FIMIM
October
POSTER: Combination of network topology and pathway analysis to reveal functional modules in human disease. Bauer-Mehren A, Bundschus M, Rautschka M, Mayer MA, Sanz F, Furlong LI. International Conference on Systems Biology. 11th-14th October 2010. Partner: FIMIM
ARTICLE: ChemProt: a disease chemical biology database. Taboureau O, Nielsen SK, Audouze K, Weinhold N, Edsgärd D, Roque FS, Kouskoumvekaki I, Bora A, Curpan R, Jensen TS, Brunak S, Oprea TI. Nucleic Acids Res. Partner: DTU
September
POSTER: Combination of network topology and pathway analysis to reveal functional modules in human disease. Bauer-Mehren A, Bundschus M, Rautschka M, Mayer MA, Sanz F, Furlong LI. 9th European Conference on Computational Biology (ECCB). 26th-29th September 2010, Ghent, Belgium. Partner: FIMIM
POSTER: DisGeNET - a Cytoscape plugin to visualize, integrate, search and analyze gene-disease networks. Bauer-Mehren A, Bundschus M, Rautschka M, Sanz F, Furlong LI. 9th European Conference on Computational Biology (ECCB). 26th-29th September 2010, Gent, Belgium. Partner: FIMIM
ARTICLE: DisGeNET - a Cytoscape plugin to visualize, integrate, search and analyze gene-disease networks. Bauer-Mehren A, Rautschka M, Sanz F, Furlong LI. Bioinformatics. Partner: FIMIM
ARTICLE: Anticipating drug side effects by comparative pharmacology. Garcia-Serna R, Mestres J. Expert Opin Drug Metab Toxicol. Partner: CT
July
ARTICLE: In silico receptorome screening of antipsychotic drugs Vidal D, Mestres J. Mol Inf. 2010 Jul 12; 29(6-7):543-551. Partner: CT
POSTER: In Silico Prediction of in vivo Toxicity - the First Steps of the eTOX Consortium. Steger-Hartmann T, Pognan F, Sanz F, Diaz C, Sutter A, Pastor M. EUROTOX. 2010 Jul; Barcelona, Spain Partners: BHC, Novartis, FIMIM
ARTICLE: Deciphering diseases and biological targets for environmental chemicals using toxicogenomics networks. Audouze K, Juncker AS, Roque FJ, Krysiak-Baltyn K, Weinhold N, Taboureau O, Jensen TS, Brunak S. PLoS Comput Biol. Partner: DTU
ABSTRACT: In silico prediction of in vivo toxicity - the first steps of the e-Tox consortium. Steger-Hartmann T, Pognan F, Sanz F, Diaz C, Sutter A, Pastor M. Toxicol Lett. Partners: BHC, Novartis, FIMIM
2009
PRESS RELEASE: 25 European organisations combine efforts towards a better prediction of toxic effects of new drug candidates. 2009 Apr; Austria. Partner: UNIVIE
PRESS RELEASE: Fuerte papel español en la I edición de la IMI. Diario Medico. 2009 Apr 30; España; Sect. Gestión, p:21. Partner: FIMIM